Geometry & MOs

Info

ID:	268333
PubChem CID:	103598952
Reduced:	ClN2O3C20H21 (1)
Stoich.:	AB2C3D20E21 (1)
Weight, g/mol:	340.142307
ΔH_f, kcal/mol:	-89.03
Dipole, Da:	4.28
IP(EA), eV:	-8.79(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-propan-2-yloxy-3-(3-pyridin-4-ylprop-2-enoylamino)benzoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)C=CC(=O)NCC(=O)NC2=C(C=C(C=C2)C)Cl

DOS

IR

Vibrations